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Information card for entry 2228453
Preview
| Coordinates | 2228453.cif |
|---|---|
| Structure factors | 2228453.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')magnesium(II) bis(4-fluorobenzoate) |
|---|---|
| Formula | C24 H24 F2 Mg N2 O8 |
| Calculated formula | C24 H24 F2 Mg N2 O8 |
| SMILES | C(=O)(c1ccc(F)cc1)[O-].c1cccc([n]12)c1cccc[n]1[Mg]2([OH2])([OH2])([OH2])[OH2].C(=O)(c1ccc(F)cc1)[O-] |
| Title of publication | Tetraaqua(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')magnesium(II) bis(4-fluorobenzoate) |
| Authors of publication | Zhang, Bi-Song; Qiu, Jian-Ping; Liu, Li-Hua; Xu, Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1624 |
| a | 27.911 ± 0.006 Å |
| b | 12.423 ± 0.003 Å |
| c | 7.5895 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2631.6 ± 1 Å3 |
| Cell temperature | 290 ± 2 K |
| Ambient diffraction temperature | 290 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 60 |
| Hermann-Mauguin space group symbol | P b c n |
| Hall space group symbol | -P 2n 2ab |
| Residual factor for all reflections | 0.087 |
| Residual factor for significantly intense reflections | 0.0696 |
| Weighted residual factors for significantly intense reflections | 0.195 |
| Weighted residual factors for all reflections included in the refinement | 0.2071 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181205 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/84. |
2228453.cif 2228453.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2228453.cif 2228453.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228453.cif 2228453.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2228453.cif 2228453.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228453.cif 2228453.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228453.cif 2228453.hkl |
| 5789 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228452, 2228453, 2228454, 2228455, 2228456, 2228457, 2228458, 2228459, 2228460, 2228461 via cif-deposit CGI script. |
2228453.cif |
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Users of the data should acknowledge the original authors of the
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